N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine

C11H18N4O3S — CID 53185840

IUPACN,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine
SMILESCN(C)c1cc(OC2CCN(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C11H18N4O3S/c1-14(2)10-6-11(13-8-12-10)18-9-4-5-15(7-9)19(3,16)17/h6,8-9H,4-5,7H2,1-3H3
InChIKeyUFMSLKGXMJTIRQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.04
Rot. Bonds4

About N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine

N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine (PubChem CID 53185840) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine
PubChem CID53185840
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine
SMILESCN(C)c1cc(OC2CCN(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C11H18N4O3S/c1-14(2)10-6-11(13-8-12-10)18-9-4-5-15(7-9)19(3,16)17/h6,8-9H,4-5,7H2,1-3H3
InChIKeyUFMSLKGXMJTIRQ-UHFFFAOYSA-N
XLogP-0.04
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine (CID 53185840) is N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine is CN(C)c1cc(OC2CCN(S(C)(=O)=O)C2)ncn1.
What is the InChIKey of N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine?
The InChIKey is UFMSLKGXMJTIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14(2)10-6-11(13-8-12-10)18-9-4-5-15(7-9)19(3,16)17/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine?
N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 53185840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).